5010-0422 Screening compound: 3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-1,3-benzodiazol-3-ium

5010-0422 Screening compound: 3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-1,3-benzodiazol-3-ium
5010-0422 Screening compound: 3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5010-0422
3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-1,3-benzodiazol-3-ium

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5010-0422

Molecular Formula

C18H21N2O2 (C18 H21 N2 O2)

Compound Name

3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-1,3-benzodiazol-3-ium

IUPAC name

3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-13-benzodiazol-3-ium

SMILES

CC[n+]1cn(CC(COc2ccccc2)O)c2c1cccc2

InChI

InChI=1S/C18H21N2O2/c1-2-19-14-20(18-11-7-6-10-17(18)19)12-15(21)13-22-16-8-4-3-5-9-16/h3-11,14-15,21H,2,12-13H2,1H3/q+1/t15-/m0/s1

InChI Key

QLTDVRMIECDNKY-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-2.93

Polar Surface Area

27.248

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

5010-0422 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5010-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5010-0422?
Check Price and Availability of 5010-0422, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5010-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5010-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5010-0422
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5010-0422 available by request